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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424417 135122614 1 N4O6C49H72 A4B6C49D72 -309.34 2.02 -8.57 0.03 0
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424418 135122615 1 O2N3C11H15 A2B3C11D15 -53.64 2.72 -9.86 -0.25 0
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424419 135122625 1 Cl2O3N5H19C20 A2B3C5D19E20 -32.46 6.81 -8.79 -1.16 0
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424420 135122627 1 OCl2N4C12H16 AB2C4D12E16 -22.17 6.18 -8.85 -0.58 0
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424421 135122629 2 NF3O3C8H10 AB3C3D8E10 -542.85 5.48 -8.51 -0.91 0
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424422 135122630 2 NOC6H9 ABC6D9 -59.01 2.22 -8.59 -0.63 0
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424423 135122631 1 NO3C9H13 AB3C9D13 -109.67 2.29 -10.2 -0.55 0
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424424 135122633 1 ON3F4H7C10 AB3C4D7E10 -174.61 1.72 -9.29 -0.84 0
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424425 135122634 1 N3O5C24H29 A3B5C24D29 -160.9 5.34 -9.59 -1.49 0
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424426 135122635 1 SO4C15H20 AB4C15D20 -162.62 5.58 -10.41 -1.23 0
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424427 135122638 1 N2O4C13H14 A2B4C13D14 -118.92 5.4 -8.2 -0.78 0
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424428 135122653 1 SN4O4C20H26 AB4C4D20E26 -113.71 5.86 -9.47 -1.51 0
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424429 135122654 1 N4O5C19H24 A4B5C19D24 -149.28 7.43 -9.48 -1.13 0
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424430 135122655 1 N4O5C24H36 A4B5C24D36 -223.15 5.97 -9.48 0.18 0
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424431 135122663 1 SN4O4C21H28 AB4C4D21E28 -119.61 5.82 -9.49 -1.23 0
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424432 135122666 1 SO2F3N5H28C29 AB2C3D5E28F29 -111.09 1.07 -8.72 -0.92 0
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424433 135122670 1 OC3N4H8 AB3C4D8 -19.71 3.05 -10.09 -0.47 0
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424434 135122675 1 ClO4N6H19C21 AB4C6D19E21 -46.15 4.98 -9.1 -1.68 0
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424435 135122677 1 ClO7N8C32H43 AB7C8D32E43 -261.54 2.04 -8.47 -0.97 0
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424436 135122681 1 OSN4H6F8C16 ABC4D6E8F16 -328.15 5.39 -9.9 -1.8 0
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424437 135122687 1 N3O5C24H37 A3B5C24D37 -228.46 4.41 -9.46 0.17 0
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424438 135122689 1 SO2F3N6H25C27 AB2C3D6E25F27 -102.44 3.99 -8.8 -1.01 0
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424439 135122691 1 SF3O3N7H26C27 AB3C3D7E26F27 -135.0 3.14 -9.18 -0.96 0
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424440 135122695 1 N4O5C24H34 A4B5C24D34 -167.57 5.7 -9.49 -0.77 0
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424441 135122697 1 FNO2C13H16 ABC2D13E16 -92.38 1.37 -9.39 0.31 0
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424442 135122700 1 NO5C15H27 AB5C15D27 -177.67 3.74 -9.39 0.16 0
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424443 135122701 1 N2O3C14H20 A2B3C14D20 -135.86 3.51 -9.68 -0.15 0
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424444 135122702 1 N3O3C17H27 A3B3C17D27 -128.21 6.09 -9.54 0.1 0
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424445 135122703 1 O2F3N3C11H12 A2B3C3D11E12 -174.32 3.33 -9.49 -0.89 0
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424446 135122704 1 NO5C14H17 AB5C14D17 -168.14 4.82 -9.53 -0.53 0
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424447 135122706 1 SF3N4O5C30H37 AB3C4D5E30F37 -315.34 6.36 -9.41 -1.06 0
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424448 135122711 1 SO2F3N6C29H29 AB2C3D6E29F29 -111.16 4.17 -8.74 -0.86 1
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424449 135122713 1 ClSN3O3H11C13 ABC3D3E11F13 -28.19 2.28 0.0 0.0 0
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424450 135122714 1 SO2F3N6C29H29 AB2C3D6E29F29 -110.36 4.67 -8.78 -0.89 0
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424451 135122716 1 ClO3N7C24H30 AB3C7D24E30 -59.25 6.7 -8.5 -1.02 0
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424452 135122718 1 OSF3N6C25H25 ABC3D6E25F25 -62.7 4.75 -8.58 -1.3 0
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424453 135122721 1 NSO2C8H11 ABC2D8E11 -67.21 1.53 -9.74 -0.87 0
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424454 135122723 1 SO2C9H16 AB2C9D16 -115.25 2.9 -8.54 0.68 0
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424455 135122725 1 N3O5C14H15 A3B5C14D15 -96.0 5.65 -9.41 -1.65 0
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424456 135122728 1 ON2C13H18 AB2C13D18 -16.89 4.43 -8.49 0.08 0
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424457 135122732 1 O2F3N3C19H20 A2B3C3D19E20 -157.37 5.05 -8.61 -0.57 0
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424458 135122746 1 FON2C11H17 ABC2D11E17 -76.25 2.49 -9.2 -0.53 0
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424459 135122748 1 SN4O7C29H36 AB4C7D29E36 -183.51 11.9 -9.14 -0.66 0
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424460 135122751 1 N2F3O3C17H17 A2B3C3D17E17 -220.7 5.65 -8.75 -0.72 0
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424461 135122767 1 BrOF3N3H11C13 ABC3D3E11F13 -138.71 3.59 -8.93 -0.81 0
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424462 135122770 1 N2O2F3C15H15 A2B2C3D15E15 -202.19 3.37 -8.37 -0.55 0
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424463 135122772 5 OC5H6 AB5C6 -140.42 0.62 -8.69 0.05 0
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424464 135122774 1 ClO3F6N6H23C24 AB3C6D6E23F24 -380.32 4.79 -8.87 -1.18 0
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424465 135122775 1 ClF3N4O5H16C19 AB3C4D5E16F19 -254.32 2.19 -8.84 -0.74 0
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424466 135122777 1 ClO3F6N6H23C24 AB3C6D6E23F24 -380.12 4.13 -8.8 -1.22 0
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424467 135122797 1 OF3N4C13H13 AB3C4D13E13 -127.58 5.16 -8.33 -0.59 0
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424468 135122800 1 SO2F3N6C29H31 AB2C3D6E29F31 -131.62 4.33 -8.81 -0.69 0
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424469 135122802 1 SO2F3N6C29H31 AB2C3D6E29F31 -130.69 5.21 -8.75 -0.66 0
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424470 135122804 1 F3N3O3H12C14 A3B3C3D12E14 -182.26 7.22 -8.77 -0.91 0
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424471 135122811 1 OBr3C12H23 AB3C12D23 -92.85 2.66 -10.5 -1.06 0
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424472 135122812 1 N3O5C23H35 A3B5C23D35 -221.29 7.87 -9.56 0.08 0
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424473 135122814 1 N2O2C9H12 A2B2C9D12 -63.53 1.84 -10.37 -1.23 0
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424474 135122825 1 N3O3C17H25 A3B3C17D25 -96.47 3.65 -9.41 -0.33 0
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424475 135122828 1 SO2F3N6H25C27 AB2C3D6E25F27 -91.32 3.58 -8.7 -1.25 0
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424476 135122829 2 NC8H8 AB8C8 53.28 3.98 -8.34 -0.5 0
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424477 135122832 1 ClO3F6N6H23C24 AB3C6D6E23F24 -379.64 5.75 -8.82 -1.19 0
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424478 135122838 4 NOC6H8 ABC6D8 -149.88 8.44 -9.35 -1.12 1
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424479 135122839 1 ON7C25H30 AB7C25D30 67.81 1.97 0.0 0.0 0
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424480 135122841 1 OCl3C12H23 AB3C12D23 -124.46 2.88 -10.51 -0.06 0
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424481 135122844 1 N4O5C20H26 A4B5C20D26 -159.31 6.65 -9.47 -1.35 0
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424482 135122854 1 N3O6C24H29 A3B6C24D29 -201.11 5.86 -9.57 -1.45 0
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424483 135122857 1 N3O3C32H43 A3B3C32D43 -63.67 3.89 -8.67 0.23 0
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424484 135122859 1 N3O3C32H43 A3B3C32D43 -65.73 3.13 -8.64 0.28 0
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424485 135122862 1 NO3C8H11 AB3C8D11 -104.87 2.28 -10.2 -0.55 0
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424486 135122864 1 O2F3N3H12C15 A2B3C3D12E15 -153.57 2.46 -9.05 -1.26 0
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424487 135122867 1 ClOF3N3H17C19 ABC3D3E17F19 -114.93 1.79 -9.49 -1.02 0
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424488 135122870 2 NOC4H6 ABC4D6 -60.34 2.95 -9.67 -0.3 0
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424489 135122873 1 ON3H17C23 AB3C17D23 93.61 4.08 -8.19 -0.9 0
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424490 135122874 1 ClOSF5H5N5C14 ABCD5E5F5G14 -157.65 5.72 -9.77 -2.21 0
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424491 135122876 1 FNO2C8H14 ABC2D8E14 -132.29 3.17 -9.43 0.71 0
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424492 135122878 1 FNSO3C11H16 ABCD3E11F16 -150.1 6.38 -9.66 -0.74 0
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424493 135122879 1 SN2O4C16H20 AB2C4D16E20 -132.57 8.0 -9.18 -0.64 0
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424494 135122897 1 BrON2F3H14C15 ABC2D3E14F15 -162.36 1.32 -8.74 -0.74 0
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424495 135122903 1 NO2P2C8H21 AB2C2D8E21 -62.63 2.88 -8.57 1.23 0
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424496 135122904 2 NOC6H7 ABC6D7 -47.34 2.8 -9.23 -0.82 0
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424497 135122909 1 SN5O8C39H41 AB5C8D39E41 -188.49 13.14 -9.61 -1.09 0
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424498 135122914 1 F2O5C21H24 A2B5C21D24 -278.16 6.98 -8.7 -0.21 0
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424499 135122915 1 N4O5C22H30 A4B5C22D30 -169.36 8.6 -9.49 -0.98 0
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424500 135122917 1 OSF3N6C25H25 ABC3D6E25F25 -73.74 3.62 -8.74 -1.21 0
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424501 135122919 1 OSCl2N3H9C11 ABC2D3E9F11 19.29 4.99 -9.34 -0.86 0
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424502 135122927 1 FNOC13H18 ABCD13E18 -55.91 2.03 -9.22 0.34 1
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424503 135122935 1 ClSN3O4H13C15 ABC3D4E13F15 -75.59 5.06 0.0 0.0 0
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424504 135122942 1 SF2N3O4C23H25 AB2C3D4E23F25 -223.04 1.55 -8.4 -1.28 0
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424505 135122948 1 BrINOH9C11 ABCDE9F11 6.97 1.28 -9.17 -1.32 0
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424506 135122951 1 F2N3O4C37H37 A2B3C4D37E37 -151.15 6.48 -8.24 -0.56 0
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424507 135122955 1 O3N5C30H41 A3B5C30D41 -63.33 4.64 -8.9 0.02 0
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424508 135122957 1 O3N4C27H30 A3B4C27D30 -27.34 3.9 -8.56 -0.63 0
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424509 135122960 1 SN2O4C16H20 AB2C4D16E20 -133.17 7.25 -9.3 -0.9 0
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424510 135122963 1 N3O5C21H31 A3B5C21D31 -210.92 5.9 -9.54 0.05 0
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424511 135122966 1 NO2H15C16 AB2C15D16 37.26 5.73 -9.72 -1.18 0
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424512 135122967 1 ClSF2N3H4C8 ABC2D3E4F8 -25.38 2.82 -9.5 -0.98 0
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424513 135122968 1 NO2C5H13 AB2C5D13 -116.1 1.6 -9.37 1.88 0
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424514 135122970 1 SF3N4C18H25 AB3C4D18E25 -134.42 4.7 -8.7 -0.88 0
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424515 135122972 1 O3N4C34H36 A3B4C34D36 -12.87 2.28 -8.46 -0.72 0
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424516 135122981 1 F2O3N4H16C21 A2B3C4D16E21 -34.45 3.6 -9.27 -1.46 0